SCHEMBL7900786

SCHEMBL7900786

O=C1CN=c2ccccc2=CN1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
CNR1 P21554 1/20 0.32
NTSR1 P30989 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE4D Q08499 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1120018 0.69
Hydrochloric Acid SCHEMBL8588250 0.68
Hydrochloric Acid SCHEMBL4437470 0.68
SCHEMBL28385903 0.65 CYP1A2 (0.38)
SCHEMBL5841959 0.64
SCHEMBL29603221 0.64
SCHEMBL11034736 0.64
SCHEMBL30725893 0.64
SCHEMBL5050110 0.61
SCHEMBL2231050 0.61

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6190691-B1 ADMINISTERING FORMULATION COMPRISING TUMOR NERCOSIS FACTOR (TNF) PRODUCTION-INHIBITORY AMOUNT OF A COMPOUND SELECTED FROM LOPERAMIDE AND DIPHENOXYLATE TO MAMMAL ADOLOR CORPORATION 2001-02-20 US disclosed
US-5962477-A USING LOPERAMIDE ADOLOR CORPORATION (US) 1999-10-05 US disclosed
EP-0937460-A2 Use of an antidiarrheal for the manufacture of a medicament for the treatment of inflammatory conditions Adolor Corporation (US) 1999-08-25 EP disclosed
EP-0757558-A4 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORP (US) 1999-06-16 EP disclosed
EP-0757558-A1 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORPORATION (US) 1997-02-12 EP disclosed
WO-1995027510-A1 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORPORATION (US) 1995-10-19 WO disclosed